SCHEMBL7857590

SCHEMBL7857590

O=S(=O)([O-])c1ccc(Oc2ccc(F)cc2)cc1.[Na+]

nearest known ligand 0.66

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 known ✓ P23219 1/20 0.44
▸ PTGS2 known ✓ P35354 1/20 0.44
▸ NR3C1 known ✓ P04150 1/20 0.44
▸ CA12 known ✓ O43570 1/20 0.42
▸ CA1 known ✓ P00915 1/20 0.42
▸ CA2 known ✓ P00918 1/20 0.42
▸ SOS1 Q07889 3/20 0.66
▸ FFAR1 O14842 2/20 0.51
▸ FFAR4 Q5NUL3 1/20 0.51
▸ MMP2 P08253 2/20 0.50
▸ MMP9 P14780 2/20 0.50
▸ HSPB1 P04792 1/20 0.50
▸ MMP14 P50281 1/20 0.50
▸ MMP1 P03956 4/20 0.49
▸ MMP13 P45452 4/20 0.49
▸ HTT P42858 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1306434 0.87 MMP2 (0.50) SOS1MMP2MMP9MMP1MMP13
SCHEMBL9779005 0.83 SOS1 (0.70) SOS1FFAR1FFAR4MMP2MMP9
SCHEMBL14138146 0.83 SOS1 (0.70) SOS1FFAR1FFAR4MMP2MMP9
SCHEMBL11519866 0.83 SOS1 (0.70) SOS1FFAR1FFAR4MMP2MMP9
SCHEMBL6918587 0.82 MMP2 (0.50) SOS1MMP2MMP9MMP1MMP13
SCHEMBL6918598 0.82 MMP2 (0.50) SOS1MMP2MMP9MMP1MMP13
SCHEMBL6912736 0.82 MMP2 (0.50) SOS1MMP2MMP9MMP1MMP13
SCHEMBL6914789 0.82 MMP2 (0.50) SOS1MMP2MMP9MMP1MMP13
SCHEMBL6909664 0.82 MMP2 (0.50) SOS1MMP2MMP9MMP1MMP13
Silver SCHEMBL6114752 0.82 MMP2 (0.50) SOS1MMP2MMP9MMP1MMP13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010011143-A1 Process for preparing phenoxyphenylsulfonyl halides HAWKINS JOEL M (US) 2001-08-02 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010011143-A1 Process for preparing phenoxyphenylsulfonyl halides MMP2, MMP3, MMP14 PTGS1 231/4885PTGS2 226/4885NR3C1 4497/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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